SCHEMBL1930833

SCHEMBL1930833

CCCCC(NC(=O)c1ccccc1/C=C/c1ccc(CN(CC)C(C)C)cc1)C(=O)C(N)=O

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 17/20 0.69
CTSB P07858 7/20 0.69
CTSS P25774 2/20 0.64
CTSK P43235 2/20 0.64
CTSL P07711 2/20 0.58
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TRPA1 O75762 1/20 0.33
TRPM2 O94759 1/20 0.33
PLA2G1B P04054 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1930834 1.00 CAPN1 (0.69) CAPN1CTSBCTSSCTSKCTSL
SCHEMBL1335435 0.94 CAPN1 (0.68) CAPN1CTSBCTSSCTSKCTSL
SCHEMBL1335434 0.94 CAPN1 (0.68) CAPN1CTSBCTSSCTSKCTSL
SCHEMBL1930492 0.89 CAPN1 (0.86) CAPN1CTSBCTSSCTSKCTSL
SCHEMBL1930489 0.89 CAPN1 (0.86) CAPN1CTSBCTSSCTSKCTSL
SCHEMBL1333082 0.89 CAPN1 (0.82) CAPN1CTSBCTSSCTSKCTSL
SCHEMBL1333084 0.89 CAPN1 (0.82) CAPN1CTSBCTSSCTSKCTSL
Hydrochloric Acid SCHEMBL29483189 0.88 CAPN1 (0.84) CAPN1CTSBCTSSCTSKCTSL
Hydrochloric Acid SCHEMBL1333121 0.88 CAPN1 (0.84) CAPN1CTSBCTSSCTSKCTSL
Hydrochloric Acid SCHEMBL1333122 0.88 CAPN1 (0.84) CAPN1CTSBCTSSCTSKCTSL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956093-B2 Substituted amides, their preparation and use ABBOTT GMBH & CO. KG (DE) 2011-06-07 US disclosed
US-20080113989-A1 For example, N-(1-Carbamoyl-1-oxo-3-phenylpropan-2-yl)-2-(E-2-(4-(1-pyrrolidinylmethyl)phenyl)ethen-1-yl)benzamide; calcium channel blockers; cardiovascular disorders; antiarthritic agents; inhibitors of enzymes, especially cysteine proteases such as calpain and cathepsins ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-05-15 US disclosed
US-7276500-B2 Calcium channel blockers; cardiovascular disorders; antiarthritic agents ABBOTT GMBH & CO. KG (DE) 2007-10-02 US disclosed
US-6753327-B1 NEURODEGENERATIVE DISORDER OR NEURONAL DAMAGE TREATMENT; INHIBITORS OF CALPAIN OR CATHEPSIN CYSTEINE PROTEASES; ANTIISCHEMIC AGENTS; REPERFUSION INJURIES ABBOTT GMBH & CO. KG (DE) 2004-06-22 US disclosed
US-20040082569-A1 Calcium channel blockers; cardiovascular disorders; antiarthritic agents ABBOTT GMBH & CO., KG 2004-04-29 US disclosed
EP-1073641-B1 NEW SUBSTITUTED AMIDES, THEIR PRODUCTION AND THEIR USE ABBOTT GMBH & CO KG (DE) 2004-04-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040082569-A1 Calcium channel blockers; cardiovascular disorders; antiarthritic agents CACNA1C, CACNA1E, RYR1 CAPN1 862/4885CTSB 2425/4885CTSS 2541/4885
US-20080113989-A1 For example, N-(1-Carbamoyl-1-oxo-3-phenylpropan-2-yl)-2-(E-2-(4-(1-pyrrolidinylmethyl)phenyl)ethen-1-yl)benzamide; calcium channel blockers; cardiovascular disorders; antiarthritic agents; inhibitors of enzymes, especially cysteine proteases such as calpain and cathepsins CAPN1, CAPNS1, CAPN2 CAPN1 1/4885CTSB 10/4885CTSS 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.